Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4436320 | 0.98 | ALDH1A1 (0.38) | ALDH1A1KDM4EFDPSS1PR4S1PR3 | |
| Bromide SCHEMBL3873854 | 0.79 | APLNR (0.41) | — | |
| SCHEMBL31477344 | 0.77 | ALDH1A1 (0.37) | ALDH1A1KDM4EFDPSS1PR4S1PR3 | |
| SCHEMBL27658270 | 0.77 | ALDH1A1 (0.37) | ALDH1A1KDM4EFDPSS1PR4S1PR3 | |
| SCHEMBL17273618 | 0.77 | ALDH1A1 (0.37) | ALDH1A1KDM4EFDPSS1PR4S1PR3 | |
| SCHEMBL13859277 | 0.77 | L3MBTL1 (0.35) | FDPSS1PR4S1PR3S1PR2 | |
| SCHEMBL22775197 | 0.77 | APLNR (0.41) | ALDH1A1 | |
| SCHEMBL21495093 | 0.77 | CCR1 (0.40) | ALDH1A1KDM4ES1PR4S1PR3S1PR2 | |
| SCHEMBL4746938 | 0.77 | CCR1 (0.40) | ALDH1A1KDM4ES1PR4S1PR3S1PR2 | |
| SCHEMBL1849724 | 0.77 | APLNR (0.41) | ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1753755-A1 | 3- {4- (PYRIDIN-3-YL) PHENYL} -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS | AstraZeneca AB (SE) | 2007-02-21 | — | — | EP | disclosed |
| EP-1753754-A1 | 3- '4- {6-SUBSTITUTED ALKANOYL) PYRIDIN-3-YL} -3-PHENYL! -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS | AstraZeneca AB (SE) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005116023-A1 | 3- {4- (PYRIDIN-3-YL) PHENYL} -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | WO | disclosed |
| WO-2005116022-A1 | 3- `4- {6-SUBSTITUTED ALKANOYL) PYRIDIN-3-YL} -3-PHENYL! -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | WO | disclosed |